SCHEMBL20116803

SCHEMBL20116803

COC(=O)N1CC2CN(c3nc(-c4ccc(C=N)c(NC(C)C)c4)no3)CC2C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
RAB9A P51151 2/20 0.38
ACACB O00763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20116844 0.88 MAPT (0.35) MAPTLMNANPC1HTTMEN1
SCHEMBL20676544 0.86 ACACB (0.35) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL20116686 0.84 MAPT (0.34) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL20117187 0.81 MAPT (0.44) MAPTLMNANPC1HTTMEN1
SCHEMBL20116725 0.78 MAPT (0.39) MAPTLMNANPC1HTTMEN1
SCHEMBL20116872 0.78 MAPT (0.40) MAPTLMNANPC1HTTMEN1
SCHEMBL20116718 0.76 MAPT (0.40) MAPTLMNANPC1HTTTP53
SCHEMBL20116477 0.76 MAPT (0.39) MAPTLMNANPC1HTTMEN1
SCHEMBL20676705 0.73 SMO (0.49) MAPTLMNAHTTMEN1KMT2A
SCHEMBL20117192 0.71 TLR9 (0.51) MAPTLMNAHTTSMN1; SMN2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed